CID 57527814

Fema no. 4741

Structural Information

Molecular Formula
C18H21N3O4
SMILES
COC1=CC=CC(=C1OC)CNC(=O)C(=O)NCCC2=CC=CC=N2
InChI
InChI=1S/C18H21N3O4/c1-24-15-8-5-6-13(16(15)25-2)12-21-18(23)17(22)20-11-9-14-7-3-4-10-19-14/h3-8,10H,9,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
NHANILBHDFUGPP-UHFFFAOYSA-N
Compound name
N'-[(2,3-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

343.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.160476 180.9
[M+Na]+ 366.142418 185.5
[M-H]- 342.145924 185.9
[M+NH4]+ 361.187023 191.9
[M+K]+ 382.116358 182.9
[M+H-H2O]+ 326.150460 170.9
[M+HCOO]- 388.151401 203.9
[M+CH3COO]- 402.167051 215.5
[M+Na-2H]- 364.127866 184.2
[M]+ 343.15265142 184.0
[M]- 343.15374858 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe